2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C25H33ClN4O4S MolecularWeight: 521.07192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C25H33ClN4O4S/c1-4-19-8-6-9-20(5-2)25(19)28-24(32)17-29-12-7-13-30(15-14-29)35(33,34)21-10-11-23(22(26)16-21)27-18(3)31/h6,8-11,16H,4-5,7,12-15,17H2,1-3H3,(H,27,31)(H,28,32)